3-[(3,4-diethoxyphenyl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3,4-diethoxyphenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(3,4-diethoxyphenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[(3,4-diethoxyanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(3,4-diethoxyphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(3,4-diethoxyphenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H28N3O2S+ MolecularWeight: 326.47742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=S)NCCC[NH+](C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=S)NCCC[NH+](C)C)OCC

InChI

InChI=1S/C16H27N3O2S/c1-5-20-14-9-8-13(12-15(14)21-6-2)18-16(22)17-10-7-11-19(3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H2,17,18,22)/p+1